REMARK Name = BDB036018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.729 -0.702 1.319 0.00 0.00 +0.056 A ATOM 2 N LIG 1 3.896 -2.029 1.019 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 2.855 -2.772 0.558 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.623 -2.174 0.410 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.329 -2.740 -0.048 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.581 -1.601 0.019 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.074 -0.462 0.498 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -0.335 0.661 0.730 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.472 -0.837 0.731 0.00 0.00 +0.045 A ATOM 10 C LIG 1 2.508 -0.058 1.191 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.944 -1.698 -0.371 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.782 -0.572 -0.410 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.148 -0.629 -0.776 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.647 -1.901 -1.112 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.838 -3.035 -1.101 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.497 -2.933 -0.733 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.104 0.666 -0.796 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -4.466 2.087 -0.954 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.511 2.443 -2.030 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.652 3.350 -1.596 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.826 0.941 -2.165 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -6.115 0.574 0.427 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.830 0.651 1.763 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.553 0.855 2.388 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -7.015 0.491 2.412 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.974 0.307 1.537 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.407 0.355 0.285 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 3.083 -4.233 0.258 0.00 0.00 +0.038 C ATOM 29 C LIG 1 2.937 -4.759 -1.152 0.00 0.00 +0.010 C ATOM 30 C LIG 1 4.299 -4.653 -0.536 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 4.952 0.058 1.814 0.00 0.00 +0.140 C BRANCH 31 37 ATOM 32 C LIG 1 5.402 3.713 -1.517 0.00 0.00 +0.039 C ATOM 33 C LIG 1 6.115 2.668 -0.672 0.00 0.00 +0.129 C ATOM 34 O LIG 1 6.907 3.373 0.302 0.00 0.00 -0.374 OA ATOM 35 C LIG 1 7.169 2.606 1.485 0.00 0.00 +0.175 C ATOM 36 C LIG 1 7.099 1.087 1.259 0.00 0.00 +0.113 C ATOM 37 N LIG 1 5.791 0.629 0.745 0.00 0.00 -0.292 NA ATOM 38 C LIG 1 5.107 1.712 0.005 0.00 0.00 +0.116 C ENDBRANCH 31 37 ENDBRANCH 1 31 TORSDOF 6